4-[(2-chlorophenyl)methyl]-2-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-[(2-chlorophenyl)methyl]-2-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-[(2-chlorophenyl)methyl]-2-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-[(2-chlorophenyl)methyl]-2-[[3-methoxy-4-(1-oxopentylamino)phenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-[(2-chlorophenyl)methyl]-2-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-(2-chlorobenzyl)-2-[[3-methoxy-4-(valerylamino)phenyl]iminomethyl]-6-nitro-phenolate Formula: C26H25ClN3O5- MolecularWeight: 494.9468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3Cl)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C26H26ClN3O5/c1-3-4-9-25(31)29-22-11-10-20(15-24(22)35-2)28-16-19-13-17(14-23(26(19)32)30(33)34)12-18-7-5-6-8-21(18)27/h5-8,10-11,13-16,32H,3-4,9,12H2,1-2H3,(H,29,31)/p-1